5-hydrazinylisoquinoline

• ChemBase ID: 270014
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: c12c(NN)cccc1cncc2
• Canonical SMILES: NNc1cccc2c1ccnc2
• InChI: InChI=1S/C9H9N3/c10-12-9-3-1-2-7-6-11-5-4-8(7)9/h1-6,12H,10H2
• InChIKey: WHMJAIHVTRKDSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydrazinylisoquinoline
• IUPAC Traditional name: 5-hydrazinylisoquinoline
• Synonyms: 5-hydrazinylisoquinoline

Database IDs

• MDL Number: MFCD08689659
• PubChem SID: 164325924
• PubChem CID: 13266423

CALCULATED PROPERTIES

• Acid pKa: 19.69744
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.70965964
• LogD (pH = 7.4): 1.1293439
• Log P: 1.1366928
• Molar Refractivity: 50.058 cm^3
• Polarizability: 19.559958 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 1.671

Product Information

• Purity: 95%